N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine

C52H38N2S2 — CID 140711508

IUPACN-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H38N2S2/c1-52(2,3)35-26-30-45-43(32-35)42-31-34(25-29-44(42)53(45)36-13-5-4-6-14-36)33-23-27-37(28-24-33)54(46-19-11-17-40-38-15-7-9-21-48(38)55-50(40)46)47-20-12-18-41-39-16-8-10-22-49(39)56-51(41)47/h4-32H,1-3H3
InChIKeyUVSVQSYXRSCZSS-UHFFFAOYSA-N
MW755.02 g/mol
LogP15.95
Rot. Bonds5

About N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine

N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine (PubChem CID 140711508) has the molecular formula C52H38N2S2 and a molecular weight of 755.02 g/mol. Its IUPAC name is N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine
PubChem CID140711508
Molecular FormulaC52H38N2S2
Molecular Weight755.02 g/mol
Exact Mass754.25
IUPAC NameN-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H38N2S2/c1-52(2,3)35-26-30-45-43(32-35)42-31-34(25-29-44(42)53(45)36-13-5-4-6-14-36)33-23-27-37(28-24-33)54(46-19-11-17-40-38-15-7-9-21-48(38)55-50(40)46)47-20-12-18-41-39-16-8-10-22-49(39)56-51(41)47/h4-32H,1-3H3
InChIKeyUVSVQSYXRSCZSS-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine with MolForge

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 89492334
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine
CID 129194653
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-(7-tert-butyl-4-phenylthieno[3,2-b]indol-2-yl)phenyl]-N,4-diphenylaniline
CID 144587937

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine?
The IUPAC name of N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine (CID 140711508) is N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine?
The canonical SMILES for N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine is CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine?
The InChIKey is UVSVQSYXRSCZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2S2/c1-52(2,3)35-26-30-45-43(32-35)42-31-34(25-29-44(42)53(45)36-13-5-4-6-14-36)33-23-27-37(28-24-33)54(46-19-11-17-40-38-15-7-9-21-48(38)55-50(40)46)47-20-12-18-41-39-16-8-10-22-49(39)56-51(41)47/h4-32H,1-3H3.
What are the key properties of N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine?
N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine has a molecular weight of 755.02 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine is sourced from PubChem (CID 140711508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).